General Information of the Compound
| Compound ID |
CP0580147
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-cyanopiperidin-1-yl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24ClN5O
|
||||||||||||||||||
| Molecular Weight |
361.877
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC(CC1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23N5O.ClH/c1-2-3-13-10-21-11-15-16(13)22-18(24)14(9-20)17(15)23-6-4-12(8-19)5-7-23;/h12-13,21H,2-7,10-11H2,1H3,(H,22,24);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFHTYDWWVCEANZ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound